CID 140332

4-methoxycyclohexanol

Structural Information

Molecular Formula
C7H14O2
SMILES
COC1CCC(CC1)O
InChI
InChI=1S/C7H14O2/c1-9-7-4-2-6(8)3-5-7/h6-8H,2-5H2,1H3
InChIKey
PFTGXSGDFZZZFY-UHFFFAOYSA-N
Compound name
4-methoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

526
Patents

130.09938 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 126.7
[M+Na]+ 153.08860 137.2
[M+NH4]+ 148.13320 135.6
[M+K]+ 169.06254 131.7
[M-H]- 129.09210 128.2
[M+Na-2H]- 151.07405 131.6
[M]+ 130.09883 128.4
[M]- 130.09993 128.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe